CID 53484319

3-(3-bromophenyl)oxetane

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1C(CO1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C9H9BrO/c10-9-3-1-2-7(4-9)8-5-11-6-8/h1-4,8H,5-6H2
InChIKey
IKNHAXGIHOUCCX-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

211.98367 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99095 125.0
[M+Na]+ 234.97289 135.1
[M-H]- 210.97639 134.8
[M+NH4]+ 230.01749 140.3
[M+K]+ 250.94683 129.3
[M+H-H2O]+ 194.98093 121.0
[M+HCOO]- 256.98187 145.2
[M+CH3COO]- 270.99752 186.3
[M+Na-2H]- 232.95834 135.0
[M]+ 211.98312 150.9
[M]- 211.98422 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe